Buparvaquone
TL;DR: Buparvaquone (CAS 88426-33-9) is a chemical compound with molecular formula C21H26O3 and molecular weight 326.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-tert-butylcyclohexyl)methyl]-4-hydroxynaphthalene-1,2-dione
Also Known As: Buparvaquone, Butalex, Buparvacuona, Buparvaquonum, Buparvaquona
| Molecular Formula | C21H26O3 |
|---|---|
| Molecular Weight | 326.19 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 326.1882 |
| Heavy Atoms | 24 |
| Complexity | 544.0 |
Chemical Identifiers
| CAS Number | 88426-33-9 |
|---|---|
| SMILES | CC(C)(C)C1CCC(CC1)CC2=C(C3=CC=CC=C3C(=O)C2=O)O |
| InChIKey | NEGDTWQGGLJCTL-UHFFFAOYSA-N |
Product Overview
Buparvaquone (CAS 88426-33-9), with molecular formula C21H26O3 and molecular weight 326.19 g/mol. IUPAC: 3-[(4-tert-butylcyclohexyl)methyl]-4-hydroxynaphthalene-1,2-dione.
Chemical Property Profile of Buparvaquone
Property Insights of Buparvaquone
The XLogP value of 5.3 indicates that Buparvaquone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.4 Ų, Buparvaquone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Buparvaquone has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Buparvaquone?
The CAS number of Buparvaquone is 88426-33-9.
What is the molecular formula of Buparvaquone?
The molecular formula of Buparvaquone is C21H26O3.
What is the molecular weight of Buparvaquone?
The molecular weight of Buparvaquone is 326.19 g/mol.
Where can I buy Buparvaquone?
You can request a quote for Buparvaquone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Buparvaquone?
Yes, KEHONG BIO provides custom synthesis services for Buparvaquone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.